Geometry & MOs

Info

ID:	213213
PubChem CID:	81063179
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-184.6
Dipole, Da:	5.29
IP(EA), eV:	-9.16(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-phenoxybutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)COC1=CC(=CC(=C1)C)C

DOS

IR

Vibrations